FoldX force field revisited, an improved version
Barcelona Institute of Science and Technology · Centre for Genomic Regulation · +6 more institutions
Abstract
MOTIVATION: The FoldX force field was originally validated with a database of 1000 mutants at a time when there were few high-resolution structures. Here, we have manually curated a database of 5556 mutants affecting protein stability, resulting in 2484 highly confident mutations denominated FoldX stability dataset (FSD), represented in non-redundant X-ray structures with
Citation impact
- FWCI
- 27.26
- Percentile
- 100%
- References
- 44
Authors
8- JDJavier DelgadoCorresponding
Barcelona Institute of Science and Technology, Centre for Genomic Regulation
- RRRaul Reche
Barcelona Institute of Science and Technology, Centre for Genomic Regulation
- DCDamiano Cianferoni
Barcelona Institute of Science and Technology, Centre for Genomic Regulation
- GOGabriele Orlando
VIB-KU Leuven Center for Cancer Biology, VIB-KU Leuven Center for Brain & Disease Research, Switch, KU Leuven
- RVRob van der Kant
VIB-KU Leuven Center for Cancer Biology, VIB-KU Leuven Center for Brain & Disease Research, Switch, KU Leuven
Topics & keywords
- Force field (fiction)
- Stacking
- Mutant
- Computer science
- Solvation
- Stability (learning theory)
- Mean squared error
- Chemistry
- Affordable and clean energy
Funding
- CDCentres de Recerca de CatalunyaAward: 501100011033
- ECEuropean CommissionAwards: 101020135, 13039/501100011033, 501100011033
- GDGeneralitat de CatalunyaAward: 501100011033
- MDMinisterio de Ciencia e InnovaciónAwards: MCIN/AEI/10, 501100011033, AEI/10, CEX2020-001049-S, 13039/501100011033
- AEAgencia Estatal de InvestigaciónAwards: PID2021-122341NB-I00, 501100011033, 13039, AEI/10, 13039/501100011033
- HEH2020 European Research Council